2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one

C16H19NO — CID 116553536

IUPAC2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
SMILESCC(C)CC(N)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-11(2)9-15(17)16(18)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyMQRMZFMRVASSGE-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.40
Rot. Bonds4

About 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one

2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one (PubChem CID 116553536) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one.

Molecular Properties

Compound Name2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
PubChem CID116553536
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
SMILESCC(C)CC(N)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-11(2)9-15(17)16(18)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyMQRMZFMRVASSGE-UHFFFAOYSA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
CID 116594058
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
2-amino-1-(3,4-dichlorophenyl)-4-methylpentan-1-one
CID 116553625
3-[(2S)-2-amino-4-methylpentanoyl]benzoic acid
CID 141035266
(2S)-2-amino-4-methyl-1-(4-methylphenyl)pentan-1-one
CID 10104411
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
dimethyl 2,4-bis(naphthalene-2-carbonyl)pentanedioate
CID 102483861
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one
CID 116576897
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one?
The IUPAC name of 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one (CID 116553536) is 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one.
What is the SMILES notation for 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one?
The canonical SMILES for 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one is CC(C)CC(N)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one?
The InChIKey is MQRMZFMRVASSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)9-15(17)16(18)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3.
What are the key properties of 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one?
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one is sourced from PubChem (CID 116553536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).